Changeset d346b6

Timestamp:

Feb 5, 2010, 3:19:27 PM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

fc1b24

Parents:

4d9c01

Message:

Made all atoms register themselves with the world upon creation

Location:

src

Files:

• Makefile.am (modified) (1 diff)
• World.cpp (modified) (2 diffs)
• World.hpp (modified) (3 diffs)
• atom.cpp (modified) (4 diffs)
• atom_particleinfo.cpp (modified) (1 diff)
• atom_particleinfo.hpp (modified) (1 diff)

src/Makefile.am

@@ -27 +27 @@
 # deleted once everything is fully refactored
 LEGACYSOURCE = Legacy/oldmenu.cpp 
-LEGACYHEADER = Legacy/oldmenu.hpp Legacy/WorldContent.hpp Legacy/WorldContent_impl.hpp
+LEGACYHEADER = Legacy/oldmenu.hpp
 
 SOURCE = ${ANALYSISSOURCE} ${ATOMSOURCE} ${PATTERNSOURCE} ${UISOURCE} ${LEGACYSOURCE} bond.cpp bondgraph.cpp boundary.cpp config.cpp element.cpp ellipsoid.cpp errorlogger.cpp graph.cpp helpers.cpp info.cpp leastsquaremin.cpp linkedcell.cpp log.cpp logger.cpp memoryusageobserver.cpp moleculelist.cpp molecule.cpp molecule_dynamics.cpp molecule_fragmentation.cpp molecule_geometry.cpp molecule_graph.cpp molecule_pointcloud.cpp parser.cpp periodentafel.cpp tesselation.cpp tesselationhelpers.cpp vector.cpp verbose.cpp World.cpp 

src/World.cpp

@@ -8 +8 @@
 #include "World.hpp"
 
-#include <iostream>
+#include "atom.hpp"
+
+using namespace std;
 
 /******************************* getter and setter ************************/
@@ -73 +75 @@
 }
 
+// some legacy stuff to let the World know about items created outside
+void World::registerAtom(atom *theAtom){
+  OBSERVE;
+  atoms[theAtom->getId()] = theAtom;
+}
 
-// methods for WorldContent CRTP mechanism
-void World::registerContent(atom *atom){
-  std::cout << "############### some kind of Atom created ##################" << std::endl;
+void World::unregisterAtom(atom *theAtom){
+  OBSERVE;
+  atoms.erase(theAtom->getId());
 }

src/World.hpp

@@ -10 +10 @@
 
 #include <boost/thread.hpp>
+#include <map>
 
 #include "Patterns/Observer.hpp"
@@ -27 +28 @@
 private:
   periodentafel *periode;
+  std::map<int,atom*> atoms;
 
 
@@ -52 +54 @@
 
   // functions used for the WorldContent template mechanism
-  void registerContent(atom *theAtom);
+  void registerAtom(atom *theAtom);
+  void unregisterAtom(atom *theAtom);
 private:
   MoleculeListClass *molecules;

src/atom.cpp

@@ -13 +13 @@
 #include "parser.hpp"
 #include "vector.hpp"
+#include "World.hpp"
 
 /************************************* Functions for class atom *************************************/
@@ -21 +22 @@
 atom::atom() : previous(NULL), next(NULL), father(this), sort(&nr)
 {
+  World::get()->registerAtom(this);
   node = &x;  // TesselPoint::x can only be referenced from here
 };
@@ -28 +30 @@
 atom::atom(atom *pointer) : previous(NULL), next(NULL), father(pointer), sort(&nr)
 {
+  World::get()->registerAtom(this);
   type = pointer->type;  // copy element of atom
   x.CopyVector(&pointer->x); // copy coordination
@@ -40 +43 @@
 atom::~atom()
 {
+  World::get()->unregisterAtom(this);
   unlink(this);
 };

src/atom_particleinfo.cpp

@@ -20 +20 @@
 };
 
+int ParticleInfo::getId() {
+  return nr;
+}
+
 ostream & operator << (ostream &ost, const ParticleInfo &a)
 {

src/atom_particleinfo.hpp

@@ -35 +35 @@
   ostream & operator << (ostream &ost) const;
 
+  int getId();
+
 private:
 };